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| | 2-(Trifluoromethyl)benzoyl chloride Basic information |
| | 2-(Trifluoromethyl)benzoyl chloride Chemical Properties |
| Melting point | -22 °C | | Boiling point | 84-85 °C16 mm Hg(lit.) | | density | 1.416 g/mL at 25 °C(lit.) | | vapor pressure | 60.66Pa at 25℃ | | refractive index | n20/D 1.479(lit.) | | Fp | 204 °F | | storage temp. | Inert atmosphere,Room Temperature | | form | Liquid | | color | Clear pink or yellow | | Specific Gravity | 1.416 | | Water Solubility | decomposes | | Sensitive | Lachrymatory | | BRN | 881040 | | InChI | 1S/C8H4ClF3O/c9-7(13)5-3-1-2-4-6(5)8(10,11)12/h1-4H | | InChIKey | MXIUWSYTQJLIKE-UHFFFAOYSA-N | | SMILES | FC(F)(F)c1ccccc1C(Cl)=O | | LogP | 2.086 | | CAS DataBase Reference | 312-94-7(CAS DataBase Reference) | | NIST Chemistry Reference | 2-(Trifluoromethyl)benzoyl chloride(312-94-7) |
| Hazard Codes | C | | Risk Statements | 34-37-29 | | Safety Statements | 26-36/37/39-45-8 | | RIDADR | UN 3265 8/PG 2 | | WGK Germany | 3 | | F | 19-21 | | Hazard Note | Corrosive/Lachrymatory | | HazardClass | 8 | | PackingGroup | II | | HS Code | 29163990 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B | | Toxicity | skn-rbt 500 mg/24H MOD FCTXAV 13,681,75 |
| | 2-(Trifluoromethyl)benzoyl chloride Usage And Synthesis |
| Chemical Properties | colorlesstolightyellowliqui | | Uses | 2-(Trifluoromethyl)benzoyl chloride may be used in chemical synthesis. | | Safety Profile | A skin irritant. When heated todecomposition it emits acrid smoke and irritating fumes. | | Synthesis | Step 2: Synthesis of 2-(trifluoromethyl)benzoyl chloride
Oxalyl chloride (36.72 mg, 0.29 mmol) was slowly added to a stirred solution of 2-(trifluoromethyl)benzoic acid (50 mg, 0.26 mmol) in dichloromethane (3 mL) followed by dropwise addition of N,N-dimethylformamide (DMF, 4 drops). The resulting reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and 2-(trifluoromethyl)benzoyl chloride (95.6 mg, 100% yield) was obtained quantitatively, which was used directly in the subsequent reaction without purification. | | References | [1] Patent: US2010/160323, 2010, A1. Location in patent: Page/Page column 28
[2] Journal of the American Chemical Society, 1947, vol. 69, p. 2352
[3] Bulletin de la Societe Chimique de France, 1962, p. 587 - 593
[4] Journal of Medicinal Chemistry, 1982, vol. 25, # 2, p. 145 - 152
[5] Journal of Medicinal Chemistry, 1999, vol. 42, # 6, p. 981 - 991 |
| | 2-(Trifluoromethyl)benzoyl chloride Preparation Products And Raw materials |
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